CID 304079

4-chloro-1-(pyrrolidin-1-yl)butan-1-one

Structural Information

Molecular Formula
C8H14ClNO
SMILES
C1CCN(C1)C(=O)CCCCl
InChI
InChI=1S/C8H14ClNO/c9-5-3-4-8(11)10-6-1-2-7-10/h1-7H2
InChIKey
OWZIEPLJGKVJOC-UHFFFAOYSA-N
Compound name
4-chloro-1-pyrrolidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

175.07639 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08367 139.8
[M+Na]+ 198.06561 146.2
[M-H]- 174.06911 141.0
[M+NH4]+ 193.11021 160.9
[M+K]+ 214.03955 143.5
[M+H-H2O]+ 158.07365 134.0
[M+HCOO]- 220.07459 155.8
[M+CH3COO]- 234.09024 177.0
[M+Na-2H]- 196.05106 142.2
[M]+ 175.07584 139.3
[M]- 175.07694 139.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe